[5-bromanyl-2-[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]methylazanium

Systemtic Name: [5-bromanyl-2-[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]methylazanium Openeye Name: [5-bromo-2-[(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [5-bromo-2-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxyphenyl]methylammonium IUPAC Name: [5-bromo-2-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxyphenyl]methylazanium Traditional Name: [5-bromo-2-[(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethoxy]benzyl]ammonium Formula: C12H17BrN3O3+ MolecularWeight: 331.18568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)OC1=C(C=C(C=C1)Br)C[NH3+]

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC)OC1=C(C=C(C=C1)Br)C[NH3+]

InChI

InChI=1S/C12H16BrN3O3/c1-7(11(17)16-12(18)15-2)19-10-4-3-9(13)5-8(10)6-14/h3-5,7H,6,14H2,1-2H3,(H2,15,16,17,18)/p+1/t7-/m0/s1